✦ LIBER ✦

Stationary points on the aminomethanol potential energy surface

✍ Scribed by B. D. El-Issa; R. N. Budeir

Publisher: Springer
Year: 1991
Tongue: English
Weight: 1021 KB
Volume: 78
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf01112845

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Stationary points on the potential energ

Stationary points on the potential energy surface of (C2H2)3

✍ Richard G.A. Bone; Christopher W. Murray; Roger D. Amos; Nicholas C. Handy 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 667 KB

A study of stationary points of interest on the surface of (CsHs)s in presented. Reported observations of splittings of lines in the infrared spectrum of the acetylene trimer suggest strongly that there are several conformations of interest that need to be identified. It is confirmed by ab initio ca

On the computation of stationary points

On the computation of stationary points on potential energy hypersurfaces

✍ Wolfgang Kliesch; Klaus Schenk; Dietmar Heidrich; Holger Dachsel 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 740 KB

In this article, a modification of a procedure proposed by Zirrilli et al. for solving nonlinear equations is presented. The method permits the computation of minima and saddle points of energy functionals. The Muller-Brown test potential and the quantum chemical description of some proton transfer

Stationary points on the potential energ

Stationary points on the potential energy surface of O2−HF and O2−H2O

✍ Jesus P. Lopez 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 674 KB

The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one

Analysis of critical points on the poten

Analysis of critical points on the potential energy surface

✍ Peter Scharfenberg 📂 Article 📅 1980 🏛 Springer 🌐 English ⚖ 301 KB

Ab initio investigation of the stationar

Ab initio investigation of the stationary points on the potential energy surface for the ethylene-sulfur dioxide complex

✍ Wagner B. De Almeida 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 443 KB

The ground state potential energy surface for the C2H,...S02 complex has been extensively investigated at the Hartree-Fock (HF) level of theory employing the 6-3 1 G\*\* basis set. Electron correlation effects were assessed by second-order Moller-Plesset perturbation theory in single point calculati

Ab initio investigation of the stationar

Ab initio investigation of the stationary points on the potential energy surface for the CO2…HCN binary complex

✍ Wagner B. De Almeida 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 646 KB